CID 19760790

2-fluoropent-2-enoic acid

Structural Information

Molecular Formula
C5H7FO2
SMILES
CC/C=C(/C(=O)O)\F
InChI
InChI=1S/C5H7FO2/c1-2-3-4(6)5(7)8/h3H,2H2,1H3,(H,7,8)/b4-3-
InChIKey
JBRQOQRPANVJKM-ARJAWSKDSA-N
Compound name
(Z)-2-fluoropent-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

118.04301 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.05029 120.9
[M+Na]+ 141.03223 128.4
[M-H]- 117.03573 118.8
[M+NH4]+ 136.07683 142.7
[M+K]+ 157.00617 127.7
[M+H-H2O]+ 101.04027 116.1
[M+HCOO]- 163.04121 141.4
[M+CH3COO]- 177.05686 167.3
[M+Na-2H]- 139.01768 125.0
[M]+ 118.04246 118.8
[M]- 118.04356 118.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.